Geometry & MOs

Info

ID:	27887
PubChem CID:	824033
Reduced:	ClN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	307.068781
ΔH_f, kcal/mol:	97.87
Dipole, Da:	4.69
IP(EA), eV:	-9.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[chloro(difluoro)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations